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    CAS 5407-04-5
    Also known as: 5407-04-5, 3-chloro-n,n-dimethylpropan-1-amine hydrochloride, 3-dimethylaminopropyl chloride hydrochloride, 3-(dimethylamino)propyl chloride hydrochloride, Dimethylaminopropyl chloride hydrochloride, N,n-dimethyl-3-chloropropylamine hydrochloride
    Molecular Formula
    C5H13Cl2N
    Molecular Weight
    158.07  g/mol
    InChI Key
    LJQNMDZRCXJETK-UHFFFAOYSA-N
    FDA UNII
    4031FU3Q6G
    1 2D Structure

    CAS 5407-04-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-chloro-N,N-dimethylpropan-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
    2.1.3 InChI Key
    LJQNMDZRCXJETK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCCCl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4031FU3Q6G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dimethylaminopropyl Chloride

    2. Dimethylaminopropyl Chloride Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 5407-04-5

    2. 3-chloro-n,n-dimethylpropan-1-amine Hydrochloride

    3. 3-dimethylaminopropyl Chloride Hydrochloride

    4. 3-(dimethylamino)propyl Chloride Hydrochloride

    5. Dimethylaminopropyl Chloride Hydrochloride

    6. N,n-dimethyl-3-chloropropylamine Hydrochloride

    7. 3-chloro-n,n-dimethylpropylamine Hydrochloride

    8. 1281-00-1

    9. Mfcd00012521

    10. Dimethylaminopropyl Chloride, Hydrochloride

    11. (3-chloropropyl)dimethylamine Hydrochloride

    12. 1-chloro-3-(dimethylamino)propane Hydrochloride

    13. 3-(dimethylamino)chloropropane Hydrochloride

    14. Beta-dimethylaminopropylchloride Hydrochloride

    15. 3-dimethylamino-1-propyl Chloride Hydrochloride

    16. 4031fu3q6g

    17. 3-(dimethylamino)-1-propyl Chloride Hydrochloride

    18. 3-chloro-n',n'-dimethylaminopropane Hydrochloride

    19. 3-chloro-n,n-dimethyl-1-propanamine Hydrochloride

    20. 3-chloro-n,n-dimethylpropan-1-amine;hydrochloride

    21. Nsc-5368

    22. 1-propanamine, 3-chloro-n,n-dimethyl-, Hydrochloride (1:1)

    23. 3-dimethylaminopropylchloride

    24. Ccris 7054

    25. 3-chloro-n,n-dimethyl-d6-propylamine Hcl

    26. 3-chloropropyldimethylammonium Chloride

    27. Nsc 5368

    28. Einecs 226-467-2

    29. 1219799-04-8

    30. Stearylcitratemono

    31. Ai3-26681

    32. 1-chloro-3-dimethylaminopropane Hydrochloride

    33. Dsstox_cid_2227

    34. Schembl9801

    35. Dsstox_rid_76526

    36. Dsstox_gsid_22227

    37. 3-chloro-n,n-dimethyl-1-propylamine Hydrochloride

    38. 3-chloro-n,n-dimethyl-propan-1-amine Hydrochloride

    39. Me2n-(ch2)3-cl.hcl

    40. Unii-4031fu3q6g

    41. Propylamine, 3-chloro-n,n-dimethyl-, Hydrochloride

    42. 1-propanamine, 3-chloro-n,n-dimethyl-, Hydrochloride

    43. 1-propylamine, 3-chloro-n,n-dimethyl-, Hydrochloride

    44. Dimethylaminopropyl Chloride Hcl

    45. Chembl1362069

    46. Dtxsid5022227

    47. Nsc5368

    48. 3-dimethylaminopropyl Chloride Hcl

    49. Tox21_201208

    50. Ac-360

    51. Ac7814

    52. Akos015846044

    53. Am90218

    54. Cs-w019575

    55. Dimethylaminopropylchloride Hydrochloride

    56. 3-chloropropyldimethylamine Hydrochloride

    57. (3-chloropropyl)dimethylammonium Chloride

    58. Ncgc00091536-01

    59. Ncgc00258760-01

    60. 3-chloro-n,n-dimethylpropan-1-amine Hcl

    61. 3-dimethylaminopropylchloride-hydrochloride

    62. 3dimethylaminopropyl Chloride Hydrochloride

    63. Sy006370

    64. 3-dimethyaminopropyl Chloride Hydrochloride

    65. Cas-5407-04-5

    66. 1-dimethylamino-3-chloropropane Hydrochloride

    67. 3-dimethylamino-1-chloropropane Hydrochloride

    68. 3-dimethylamino-propyl Chloride Hydrochloride

    69. D0663

    70. Ft-0615608

    71. (3-chloro-propyl)-dimethylamine Hydrochloride

    72. (3chloro-propyl)-dimethyl-amine Hydrochloride

    73. 1-chloro-3-dimethylamino-propane Hydrochloride

    74. 3-dimethylamino-1-propylchloride Hydrochloride

    75. (3-chloro-propyl)-dimethyl-amine Hydrochloride

    76. 3-(dimethylamino)-1-chloropropane Hydrochloride

    77. 3-[dimethylamino]-propyl Chloride Hydrochloride

    78. 3-chloro-n,n-dimethylpropan-1-aminium Chloride

    79. 3-chloro-n,n-dimethylpropanamine, Hydrochloride

    80. D77998

    81. Ec 226-467-2

    82. N,n-dimethylamino-3-chloropropane Hydrochloride

    83. 1-chloro-3-(dimethylamino) Propane Hydrochloride

    84. 3-chloro-n,n-dimethylpropan-1-aminehydrochloride

    85. N,n-dimethyl-3-aminopropyl Chloride Hydrochloride

    86. 3-(n,n-dimethylamino)propylchloride Hydrochloride

    87. A904586

    88. 3-chloro-n,n-dimethylpropanamine, Monohydrochloride

    89. 3-chloro-n,n-dimethylpropane-1-amine Hydrochloride

    90. N,n-dimethyl-n-(3-chloropropyl)amine Hydrochloride

    91. N-(3-chloropropyl)-n,n-dimethylamine Hydrochloride

    92. Q-200374

    93. 3-dimethylamino-1-propyl Chloride Hydrochloride, 96%

    94. Q27258279

    95. F0001-1419

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 158.07 g/mol
    Molecular Formula C5H13Cl2N
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass157.0425048 g/mol
    Monoisotopic Mass157.0425048 g/mol
    Topological Polar Surface Area3.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity37.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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